Vibrational modes in the Pmc21 structure of ZnGeN2

被引：8
|
作者：
Hagemann, Mark [1 ]
Bhandari, Churna [1 ]
Lambrecht, Walter R. L. [1 ]
机构：
[1] Case Western Reserve Univ, Dept Phys, 10900 Euclid Ave, Cleveland, OH 44106 USA
来源：
SOLID STATE COMMUNICATIONS | 2016年 / 233卷
基金：
美国国家科学基金会;
关键词：
Semiconductor; Phonons; Computational; PSEUDOPOTENTIALS;
D O I：
10.1016/j.ssc.2016.02.013
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Vibrational normal modes at the Brillouin zone center and related Raman and infrared spectra are calculated from first-principles density functional perturbation theory for the until now hypothetical Pmc2(1) structure of ZnGeN2 and are compared with those in the known Pnb2(1) structure. Although there are great similarities in phonon spectra, we show that the distinctions are specific enough to experimentally distinguish the two crystal structures. (C) 2016 Elsevier Ltd. All rights reserved.
引用
收藏
页码：46 / 49
页数：4
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